UCSF

ZINC43801588

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.38 3.4 -104.26 4 5 2 59 243.351 4
Hi High (pH 8-9.5) -0.19 -1.4 -37.73 2 5 0 61 241.335 4
Hi High (pH 8-9.5) -0.19 -0.03 -60.79 3 5 1 66 242.343 4
Hi High (pH 8-9.5) -0.38 2.05 -44.77 3 5 1 55 242.343 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )